SCHEMBL22729706

SCHEMBL22729706

CCn1ccc2c(=O)n(C)cc(C)c21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.39
▸ BRD9 Q9H8M2 1/20 0.34
▸ BRD7 Q9NPI1 1/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GRM2 Q14416 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22729417 0.80 BRD4 (0.44) BRD4BRD9BRD7L3MBTL1
SCHEMBL22729829 0.80 BRD4 (0.50) BRD4
SCHEMBL17963571 0.75 CCNT1 (0.33) BRD4CCNT1CDK9L3MBTL1GRM2
SCHEMBL31589831 0.73 PKM (0.43) BRD4BRD9BRD7
SCHEMBL17879710 0.69 BRD4 (0.41) BRD4BRD9BRD7L3MBTL1
SCHEMBL31590252 0.69 BRD4 (0.43) BRD4
SCHEMBL15801423 0.69 MAPT (0.48) BRD4GRM2
SCHEMBL31590222 0.67 GFER (0.44) BRD4BRD9BRD7GRM2
SCHEMBL22729605 0.67 BRD4 (0.31) BRD4
SCHEMBL22729432 0.66 LMNA (0.40) BRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC BRD4 1170/4885BRD9 2497/4885BRD7 1991/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC BRD4 1201/4885BRD9 2508/4885BRD7 1980/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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